methyl (2S,4S)-4-(4-methoxyphenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(4-methoxyphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(4-methoxyphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(4-methoxyphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(4-methoxyphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(4-methoxyphenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H18NO4+ MolecularWeight: 252.28632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2CC([NH2+]C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)O[C@H]2C[C@H]([NH2+]C2)C(=O)OC

InChI

InChI=1S/C13H17NO4/c1-16-9-3-5-10(6-4-9)18-11-7-12(14-8-11)13(15)17-2/h3-6,11-12,14H,7-8H2,1-2H3/p+1/t11-,12-/m0/s1